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-  2016 


DOI: 10.3866/PKU.WHXB201601293

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Abstract:

利用共振双光子电离(R2PI)技术和质量分辨阈值电离(MATI)技术来研究2, 5-二氟苯酚分子。实验所测得的顺式、反式2, 5-二氟苯酚分子电子激发能E1分别为36448和36743 cm-1,绝热电离能分别为71164和71476 cm-1。这两个顺反转动同素异构分子在电子激发S1态与离子D0态活性振动主要是由于面内环变形和与取代基相关的弯曲振动。分析2, 5-二氟苯酚分子的振动光谱、D0态离子光谱以及理论计算均表明这两个转动异构体在D0态的几何构型与S1态的中性几何构型相当相似。
We applied resonant two-photon ionization (R2PI) and mass-analyzed threshold ionization (MATI) techniques to record the vibronic and cationic spectra of 2, 5-difluorophenol. The distinct bands at 36448 and 36743 cm-1 were confirmed as the origins of the S1 ← S0 electronic transition of the cis and trans rotamers, respectively. The corresponding adiabatic ionization energies were found to be 71164 and 71476 cm-1 for these two rotameric species. The observed spectral features mainly result from the in-plane ring deformation and substituent-sensitive bending vibrations. Spectral analysis suggests that the molecular geometry and vibrational coordinates of the cation in the D0 state resemble those of the neutral species in the S1 state for both cis and trans rotamers

 References

[1]  3 Kolek P. ; Pirowska K. ; Gora M. ; Kozik B. ; Najbar J. Chem. Phys. 2002, 285, 55. doi: 10.1016/S0301-0104(02)00689-4
[2]  7 Huh C. S. ; Yoon Y.W. ; Lee S. K. J. Chem. Phys. 2012, 136, 174306. doi: 10.1063/1.4708808
[3]  8 Ito M. ; Oikawa A. J. Mol. Struct. 1985, 126, 133. doi: 10.1016/0022-2860(85)80109-5
[4]  9 Kazmierski W. M. ; Danehower S. ; Duan M. ; Ferris R. G. ; Elitzin V. ; Minick D. ; Sharp M. ; Stewart E. ; Villeneuve M. Med. Chem. Lett. 2014, 5, 1296. doi: 10.1021/ml5004124
[5]  10 Ortega D. R. ; Yang C. ; Ames P. ; Baudry J. ; Parkinson J. S. ; Zhulin I. B. Nat. Commun. 2013, 4, 1.
[6]  11 Chakrabarti S. ; Jaman A. I. J. Mol. Struct. 2002, 642, 93. doi: 10.1016/S0022-2860(02)00398-8
[7]  12 Shivatare V. ; Tzeng W. B. Bull. Korean Chem. Soc. 2014, 35, 815. doi: 10.5012/bkcs.2014.35.3.815
[8]  13 Tsai C. Y. ; Tzeng W. B. J. Photochem. Photobiol. A 2013, 270, 53. doi: 10.1016/j.jphotochem.2013.07.014
[9]  14 Fujii A. ; Iwasaki A. ; Mikami N. Chem. Lett. 1997, 11, 1099. doi: 10.1246/cl.1997.1099
[10]  15 Fujimaki E. ; Fujii A. ; Ebata T. ; Mikami N. J. Chem. Phys. 1999, 110, 4238. doi: 10.1063/1.478306
[11]  16 Yuan L. ; Li C. ; Lin J. L. ; Yang S. C. ; Tzeng W. B. Chem. Phys. 2006, 323, 429. doi: 10.1016/j.chemphys.2005.10.004
[12]  19 Zhang B. ; Li C. ; Su H. ; Lin J. L. ; Tzeng W. B. Chem. Phys. Lett. 2004, 390, 65. doi: 10.1016/j.cplett.2004.04.013
[13]  20 Huang W. C. ; Huang P. S. ; Hu C. H. ; Tzeng W. B. Chem. Phys. Lett. 2013, 580, 28. doi: 10.1016/j.cplett.2013.06.053
[14]  21 Ribeiro-Claro P. J. A. ; Teixeira-Dias J. J. C. ; Hollas J. M. ; Milewski M. J. Chem. Soc. Faraday Trans. 1995, 91, 197. doi: 10.1039/FT9959100197
[15]  22 Breen P. J. ; Bernstein E. R. ; Secor H. V. ; Seeman J. I. J. Am. Chem. Soc. 1989, 111, 1958. doi: 10.1021/ja00188a002
[16]  23 Li C. ; Lin J. L. ; Tzeng W. B. J. Chem. Phys. 2005, 122, 044311. doi: 10.1063/1.1839863
[17]  24 Gerhards M. ; Perl W. ; Kleinermanns K. Chem. Phys. Lett. 1995, 240, 506. doi: 10.1016/0009-2614(95)00567-N
[18]  25 Patwari G. N. ; Doraiswamy S. ; Wategaonkar S. Chem. Phys. Lett. 1998, 289, 8. doi: 10.1016/S0009-2614(98)00398-4
[19]  26 Telle H. H. ; Urena A. G. ; Donovan R. J. Laser Chemistry; JohnWiley & Sons, Ltd.:West Sussex, England 2007.
[20]  38 Varsanyi G. ; Szoke S. Vibrational Spectra of Benzene Derivatives; Academic Press: London 1969.
[21]  41 Shinozaki M. ; Sakai M. ; Yamaguchi S. ; Fujioka T. ; Fujii M. Phys. Chem. Chem. Phys. 2003, 5, 5044. doi: 10.1039/B309461H
[22]  43 Wu P. Y. ; Tzeng W. B. J. Mol. Spectrosc. 2015, 316, 72. doi: 10.1016/j.jms.2015.06.011
[23]  44 Shiung K. S. ; Yu D. ; Huang H. C. ; Tzeng W. B. J. Mol. Spectrosc. 2012, 274, 43. doi: 10.1016/j.jms.2012.04.004
[24]  29 Cockett M. C. R. Chem. Soc. Rev. 2005, 34, 935. doi: 10.1039/b505794a
[25]  31 Dessent C. E. H. ; Haines S. ; Müller-Dethlefs K. Chem. Phys. Lett. 1999, 315, 103. doi: 10.1016/S0009-2614(99)01193-8
[26]  32 Georgiev S. ; Karaminkov R. ; Chervenkov S. ; Delchev V. ; Neusser H. J. J. Phys. Chem. A 2009, 113, 12328. doi: 10.1021/jp908045k
[27]  33 Witte F. ; Riese M. ; Gunzer F. ; Grotemeyer J. Int. J. Mass Spectrom. 2011, 306, 129. doi: 10.1016/j.ijms.2010.10.002
[28]  35 Xu Y. ; Tzeng S. Y. ; Shivatare V. ; Takahashi K. ; Zhang B. ; Tzeng W. B. J. Chem. Phys. 2015, 142, 124314. doi: 10.1063/1.4916052
[29]  36 Frisch M. J. ; Trucks G.W. ; Schlegel H. B. ; et al Gaussian 09, Revision A.02; Gaussian Inc.:Wallingford, CT 2009.
[30]  39 Varsanyi G. Assignments of Vibrational Spectra of Seven Hundred Benzene Derivatives;Wiley: New York 1974.
[31]  40 Wilson E. B. Phys. Rev. 1934, 45, 406. doi: 10.1103/PhysRev.45.706
[32]  1 Ribero da Silva M. A. V. ; Lobo Ferreira A. I. M. C. J. Chem. Thermodyn. 2010, 42, 133. doi: 10.1016/j.jct.2009.07.021
[33]  2 Rao R. ; Aralakkanavar M. K. ; Rao K. S. ; Shashidhar M. A. Spectrochim. Acta A 1989, 45, 103. doi: 10.1016/0584-8539(89)80110-2
[34]  4 Kolek, P.; Pirowska, K.; Chacaga, L.; Najbar, J. Phys. Chem. Chem. Phys. 2003, 5, 4096. doi: 10.1039/B305797F
[35]  5 Itoh T. ; Tanaka N. ; Tsukada Y. ; Nishikiori H. ; Fujii T. J. Mol. Struct. 2011, 1000, 35. doi: 10.1016/j.molstruc.2011.05.046
[36]  6 Yoon Y. K. ; Huh C. S. ; Lee S. K. Chem. Phys. Lett. 2012, 550, 58. doi: 10.1016/j.cplett.2012.08.060
[37]  17 Oikawa, A.; Abe, H.; Mikami, N.; Ito, M. Chem. Phys. Lett. 1985, 116, 50. doi: 10.1016/0009-2614(85) 80123-8
[38]  18 Yosida K. ; Suzuki K. ; Ishiuchi S. ; Sakai M. ; Fujii M. ; Dessent C. E. H. ; Muller-Dethlefs K. Phys. Chem. Chem. Phys. 2002, 4, 2534. doi: 10.1039/B201107G
[39]  27 Müller-Dethlefs K. ; Sander K. M. ; Schlag E.W. Chem. Phys. Lett. 1984, 112, 291. doi: 10.1016/0009-2614(84)85743-7
[40]  28 Müller-Dethlefs K. ; Dopfer O. ; Wright T. G. Chem. Rev. 1994, 94, 1845. doi: 10.1021/cr00031a006
[41]  30 Zhu L. ; Johnson P. J. Chem. Phys. 1991, 94, 5769. doi: 10.1063/1.460460
[42]  34 Lin J. L. ; Tzeng W. B. Appl. Spectrosc. 2003, 57, 1178. doi: 10.1366/00037020360696062
[43]  37 Dennington, R.; Keith, T.; Millam, J.; GaussView, Version 5; Semichem Inc. :Shawnee Mission KS, 2009.
[44]  42 Dopfer O. ; Müller-Dethlefs K. J. Chem. Phys. 1994, 101, 8508. doi: 10.1063/1.468111
[45]  45 Xu Y. ; Tzeng S. Y. ; Zhang B. ; Tzeng W. B. Spectrochim. Acta A 2013, 102, 365. doi: 10.1016/j.saa.2012.10.020

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